SCHEMBL3909436

SCHEMBL3909436

O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC(=O)c3ccccn3)c2)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.63
GRM4 Q14833 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
KDR P35968 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3906838 0.90 PTPN1 (0.58) PTPN1PTPRCPTPN2
SCHEMBL3908891 0.90 PTPN1 (0.62) PTPN1GRM4PTPRCPTPN2
SCHEMBL3906445 0.90 PTPN1 (0.79) PTPN1PTPRCPTPN2
SCHEMBL3907096 0.89 PTPN1 (0.78) PTPN1PTPRCPTPN2
SCHEMBL3907972 0.88 PTPN1 (0.67) PTPN1PTPRCPTPN2KCNK3
SCHEMBL3909960 0.87 PTPN1 (0.57) PTPN1PTPRCPTPN2
SCHEMBL3910181 0.87 PTPN1 (0.57) PTPN1PTPRCPTPN2
SCHEMBL3903376 0.85 PTPN1 (0.65) PTPN1PTPRCPTPN2KCNK3
SCHEMBL3910642 0.85 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL3905627 0.85 PTPN1 (0.61) PTPN1PTPRCPTPN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885GRM4 3669/4885HDAC6 2218/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.